4REG
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4HY6
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![BU of 4hy6 by Molmil](/molmil-images/mine/4hy6) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ1 | Descriptor: | 6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one, Heat shock protein HSP 90-alpha | Authors: | Yang, M, Li, J, He, J.H. | Deposit date: | 2012-11-13 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ1 to be published
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4L36
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![BU of 4l36 by Molmil](/molmil-images/mine/4l36) | Crystal structure of the cytochrome P450 enzyme TxtE | Descriptor: | HEME B/C, IMIDAZOLE, Putative P450-like protein | Authors: | Yu, F, Li, M.J, Xu, C.Y, Wang, Z.J, Zhou, H, Yang, M, Chen, Y.X, Tang, L, He, J.H. | Deposit date: | 2013-06-05 | Release date: | 2013-12-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Structural Insights into the Mechanism for Recognizing Substrate of the Cytochrome P450 Enzyme TxtE. Plos One, 8, 2013
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5X4I
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![BU of 5x4i by Molmil](/molmil-images/mine/5x4i) | Pyrococcus furiosus RecJ (D83A, Mn-soaking) | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Uncharacterized protein | Authors: | Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P. | Deposit date: | 2017-02-13 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45. Nucleic Acids Res., 45, 2017
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5XR5
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![BU of 5xr5 by Molmil](/molmil-images/mine/5xr5) | Crystal structure of Human Hsp90 with FS4 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-07 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of Human Hsp90 with FS4 To Be Published
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5XRB
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![BU of 5xrb by Molmil](/molmil-images/mine/5xrb) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-08 | Release date: | 2018-07-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 To Be Published
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5XQE
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![BU of 5xqe by Molmil](/molmil-images/mine/5xqe) | Crystal structure of Human Hsp90 with FS3 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-07 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Crystal structure of Human Hsp90 with FS3 To Be Published
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5XRD
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5XQD
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![BU of 5xqd by Molmil](/molmil-images/mine/5xqd) | Crystal structure of Human Hsp90 with FS2 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-07 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of Human Hsp90 with FS2 To Be Published
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5XR9
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![BU of 5xr9 by Molmil](/molmil-images/mine/5xr9) | Crystal structure of Human Hsp90 with FS6 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-08 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Crystal structure of Human Hsp90 with FS6 To Be Published
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5XRE
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![BU of 5xre by Molmil](/molmil-images/mine/5xre) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1 | Descriptor: | Heat shock protein HSP 90-alpha, N-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-08 | Release date: | 2018-07-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1 To Be Published
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5X4J
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![BU of 5x4j by Molmil](/molmil-images/mine/5x4j) | The crystal structure of Pyrococcus furiosus RecJ (Zn-soaking) | Descriptor: | CHLORIDE ION, Uncharacterized protein, ZINC ION | Authors: | Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P. | Deposit date: | 2017-02-13 | Release date: | 2018-02-14 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45. Nucleic Acids Res., 45, 2017
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5X4K
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![BU of 5x4k by Molmil](/molmil-images/mine/5x4k) | The complex crystal structure of Pyrococcus furiosus RecJ and CMP | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Uncharacterized protein, ZINC ION | Authors: | Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P. | Deposit date: | 2017-02-13 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45. Nucleic Acids Res., 45, 2017
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5X4H
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![BU of 5x4h by Molmil](/molmil-images/mine/5x4h) | The crystal structure of Pyrococcus furiosus RecJ (wild-type) | Descriptor: | MAGNESIUM ION, Uncharacterized protein | Authors: | Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P. | Deposit date: | 2017-02-13 | Release date: | 2018-02-14 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45. Nucleic Acids Res., 45, 2017
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6A9W
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![BU of 6a9w by Molmil](/molmil-images/mine/6a9w) | Structure of the bifunctional DNA primase-polymerase from phage NrS-1 | Descriptor: | Primase | Authors: | Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H. | Deposit date: | 2018-07-16 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1. Biochem. Biophys. Res. Commun., 510, 2019
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4E5Y
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![BU of 4e5y by Molmil](/molmil-images/mine/4e5y) | |
4PXG
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![BU of 4pxg by Molmil](/molmil-images/mine/4pxg) | |
4R6M
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![BU of 4r6m by Molmil](/molmil-images/mine/4r6m) | Crystal Structure of DNA Duplex Containing Two Consecutive Mercury-mediated Base Pairs | Descriptor: | DNA (5'-D(P*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3'), MERCURY (II) ION | Authors: | Xu, C.Y, Yu, F, Wang, L.H, Zhao, Y, Lin, T, Fan, C.H, He, J.H. | Deposit date: | 2014-08-26 | Release date: | 2015-09-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.357 Å) | Cite: | Crystal Structure of DNA Duplex Containing Two Consecutive Mercury-mediated Base Pairs To be Published
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5GM2
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![BU of 5gm2 by Molmil](/molmil-images/mine/5gm2) | Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1 | Descriptor: | (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H. | Deposit date: | 2016-07-12 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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5GM1
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![BU of 5gm1 by Molmil](/molmil-images/mine/5gm1) | Crystal structure of methyltransferase TleD complexed with SAH | Descriptor: | O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H. | Deposit date: | 2016-07-12 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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5X1R
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![BU of 5x1r by Molmil](/molmil-images/mine/5x1r) | PpkA-294 apo form | Descriptor: | PpkA-294 | Authors: | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | Deposit date: | 2017-01-26 | Release date: | 2018-01-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism. Biochem.J., 475, 2018
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6LTK
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![BU of 6ltk by Molmil](/molmil-images/mine/6ltk) | HSP90 in complex with SNX-2112 | Descriptor: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha | Authors: | Cao, H.L. | Deposit date: | 2020-01-22 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Complex Crystal Structure Determination and in vitro Anti-non-small Cell Lung Cancer Activity of Hsp90 N Inhibitor SNX-2112. Front Cell Dev Biol, 9, 2021
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6LT8
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![BU of 6lt8 by Molmil](/molmil-images/mine/6lt8) | HSP90 in complex with KW-2478 | Descriptor: | 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide, Heat shock protein HSP 90-alpha | Authors: | Cao, H.L. | Deposit date: | 2020-01-21 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Anti-NSCLC activity in vitro of Hsp90 N inhibitor KW-2478 and complex crystal structure determination of Hsp90 N -KW-2478. J.Struct.Biol., 213, 2021
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6LR9
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![BU of 6lr9 by Molmil](/molmil-images/mine/6lr9) | HSP90 in complex with Debio0932 | Descriptor: | 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Cao, H.L. | Deposit date: | 2020-01-15 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Complex crystal structure determination and anti-non-small-cell lung cancer activity of the Hsp90 N inhibitor Debio0932. Acta Crystallogr D Struct Biol, 77, 2021
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7YOQ
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![BU of 7yoq by Molmil](/molmil-images/mine/7yoq) | Recj2 and CMP complex from Methanocaldococcus jannaschii | Descriptor: | [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate, nuclease RecJ2 | Authors: | Wang, W.W, Liu, X.P. | Deposit date: | 2022-08-02 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.265 Å) | Cite: | The structure of nuclease RecJ2 from Methanocaldococcus jannaschii To Be Published
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